3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

C11H12BrClN4 — CID 114836017

IUPAC3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCn1cc(CCNc2ncc(Cl)cc2Br)cn1
InChIInChI=1S/C11H12BrClN4/c1-17-7-8(5-16-17)2-3-14-11-10(12)4-9(13)6-15-11/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyJBCAHDNUNKQDHR-UHFFFAOYSA-N
MW315.60 g/mol
LogP2.89
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine

3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 114836017) has the molecular formula C11H12BrClN4 and a molecular weight of 315.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID114836017
Molecular FormulaC11H12BrClN4
Molecular Weight315.60 g/mol
Exact Mass313.99
IUPAC Name3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCn1cc(CCNc2ncc(Cl)cc2Br)cn1
InChIInChI=1S/C11H12BrClN4/c1-17-7-8(5-16-17)2-3-14-11-10(12)4-9(13)6-15-11/h4-7H,2-3H2,1H3,(H,14,15)
InChIKeyJBCAHDNUNKQDHR-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 80688948
2,6-dibromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 114209108
3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
3-bromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103747961
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114208957
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
3-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688607
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
N-(3-bromo-5-chloro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114835871

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine (CID 114836017) is 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is Cn1cc(CCNc2ncc(Cl)cc2Br)cn1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is JBCAHDNUNKQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4/c1-17-7-8(5-16-17)2-3-14-11-10(12)4-9(13)6-15-11/h4-7H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine?
3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 315.60 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114836017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).