2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

C10H9ClFN5O — CID 103893192

IUPAC2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C10H9ClFN5O/c1-17-5-15-16-8(17)4-14-10(18)7-2-6(12)3-13-9(7)11/h2-3,5H,4H2,1H3,(H,14,18)
InChIKeyLQQKALDDVXAQKJ-UHFFFAOYSA-N
MW269.67 g/mol
LogP0.93
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 103893192) has the molecular formula C10H9ClFN5O and a molecular weight of 269.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID103893192
Molecular FormulaC10H9ClFN5O
Molecular Weight269.67 g/mol
Exact Mass269.05
IUPAC Name2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C10H9ClFN5O/c1-17-5-15-16-8(17)4-14-10(18)7-2-6(12)3-13-9(7)11/h2-3,5H,4H2,1H3,(H,14,18)
InChIKeyLQQKALDDVXAQKJ-UHFFFAOYSA-N
XLogP0.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 106993375
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
5-amino-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 61138847
5,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 63330415
N-[(4-tert-butylphenyl)methyl]-2-chloro-5-fluoropyridine-3-carboxamide
CID 141112044
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103706759
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylbenzamide
CID 107027919
4-(ethylamino)-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81243046
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 103893192) is 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is Cn1cnnc1CNC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is LQQKALDDVXAQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5O/c1-17-5-15-16-8(17)4-14-10(18)7-2-6(12)3-13-9(7)11/h2-3,5H,4H2,1H3,(H,14,18).
What are the key properties of 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 269.67 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103893192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).