3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one

C7H10ClN3O — CID 130665503

IUPAC3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
SMILESNC[C@@H](N)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C7H10ClN3O/c8-5-1-4(6(10)2-9)3-11-7(5)12/h1,3,6H,2,9-10H2,(H,11,12)/t6-/m1/s1
InChIKeyQBJPVTUYNWNDNF-ZCFIWIBFSA-N
MW187.63 g/mol
LogP-0.01
Rot. Bonds2

About 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one

3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one (PubChem CID 130665503) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
PubChem CID130665503
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
SMILESNC[C@@H](N)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C7H10ClN3O/c8-5-1-4(6(10)2-9)3-11-7(5)12/h1,3,6H,2,9-10H2,(H,11,12)/t6-/m1/s1
InChIKeyQBJPVTUYNWNDNF-ZCFIWIBFSA-N
XLogP-0.01
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-amino-2-methoxyethyl]-3-chloro-1H-pyridin-2-one
CID 130722019
5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
(1S)-1-(4-amino-3-chlorophenyl)ethane-1,2-diamine
CID 66516675
methyl 4-(1,2-diaminoethyl)-1H-pyrrole-2-carboxylate
CID 55293233
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 77131117
(1R)-1-(4-bromo-3-chlorophenyl)ethane-1,2-diamine
CID 130673316
(1S)-1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517409
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
CID 130614731
5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170827810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one (CID 130665503) is 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one is NC[C@@H](N)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
The InChIKey is QBJPVTUYNWNDNF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-5-1-4(6(10)2-9)3-11-7(5)12/h1,3,6H,2,9-10H2,(H,11,12)/t6-/m1/s1.
What are the key properties of 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one has a molecular weight of 187.63 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one is sourced from PubChem (CID 130665503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).