(2-chloro-4-methyl-3-pyridinyl)carbamic acid

C7H7ClN2O2 — CID 88545589

IUPAC(2-chloro-4-methyl-3-pyridinyl)carbamic acid
SMILESCc1ccnc(Cl)c1NC(=O)O
InChIInChI=1S/C7H7ClN2O2/c1-4-2-3-9-6(8)5(4)10-7(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyQIGWDMWFADXGTR-UHFFFAOYSA-N
MW186.60 g/mol
LogP2.13
Rot. Bonds1

About (2-chloro-4-methyl-3-pyridinyl)carbamic acid

(2-chloro-4-methyl-3-pyridinyl)carbamic acid (PubChem CID 88545589) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is (2-chloro-4-methyl-3-pyridinyl)carbamic acid.

Molecular Properties

Compound Name(2-chloro-4-methyl-3-pyridinyl)carbamic acid
PubChem CID88545589
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name(2-chloro-4-methyl-3-pyridinyl)carbamic acid
SMILESCc1ccnc(Cl)c1NC(=O)O
InChIInChI=1S/C7H7ClN2O2/c1-4-2-3-9-6(8)5(4)10-7(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyQIGWDMWFADXGTR-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
2-[2-[(2-chloro-4-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570056
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 79812641
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874
N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methyl-3-pyridinyl)carbamic acid?
The IUPAC name of (2-chloro-4-methyl-3-pyridinyl)carbamic acid (CID 88545589) is (2-chloro-4-methyl-3-pyridinyl)carbamic acid.
What is the SMILES notation for (2-chloro-4-methyl-3-pyridinyl)carbamic acid?
The canonical SMILES for (2-chloro-4-methyl-3-pyridinyl)carbamic acid is Cc1ccnc(Cl)c1NC(=O)O.
What is the InChIKey of (2-chloro-4-methyl-3-pyridinyl)carbamic acid?
The InChIKey is QIGWDMWFADXGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4-2-3-9-6(8)5(4)10-7(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of (2-chloro-4-methyl-3-pyridinyl)carbamic acid?
(2-chloro-4-methyl-3-pyridinyl)carbamic acid has a molecular weight of 186.60 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methyl-3-pyridinyl)carbamic acid is sourced from PubChem (CID 88545589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).